SCHEMBL6418989

SCHEMBL6418989

CC(C)c1cc(CCCCO)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.50
ALOX15 P16050 6/20 0.50
BCHE P06276 5/20 0.47
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ACHE P22303 2/20 0.42
CA2 P00918 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6415462 0.98 BCHE (0.49) IGF1RALOX15BCHETHRATHRB
SCHEMBL6417134 0.95 IGF1R (0.47) IGF1RALOX15BCHETHRATHRB
SCHEMBL3911899 0.89 IGF1R (0.52) IGF1RALOX15THRATHRBHSP90AA1
Cyclohexane SCHEMBL28235171 0.86 IGF1R (0.50) IGF1RALOX15BCHETHRATHRB
SCHEMBL12949905 0.85 THRA (0.51) IGF1RALOX15THRATHRBKDM4E
SCHEMBL7247329 0.85 KAT8 (0.56) IGF1RALOX15KDM4EALDH1A1ACHE
SCHEMBL27798105 0.85 KAT8 (0.56) IGF1RALOX15KDM4EALDH1A1ACHE
SCHEMBL27798114 0.85 KAT8 (0.56) IGF1RALOX15KDM4EALDH1A1ACHE
SCHEMBL2672717 0.84 NPC1 (0.52) IGF1RALOX15THRATHRBKDM4E
SCHEMBL9500808 0.83 IGF1R (0.47) IGF1RALOX15THRATHRBHSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2005-12-15 US disclosed
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-10-07 US disclosed
US-20030139478-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER D SCOTT 2003-07-24 US disclosed
WO-2003053897-A1 NON-HALOGENATED HYDROXYALKYL-SUBSTITUTED PHENOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY LLC (US) 2003-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO IGF1R 4730/4885ALOX15 809/4885BCHE 3394/4885
US-20030139478-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO IGF1R 4730/4885ALOX15 809/4885BCHE 3394/4885
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO IGF1R 4730/4885ALOX15 809/4885BCHE 3394/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.